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Biological Chemistry|December 19, 2025
Mechanistic insights into Ras-catalyzed GTP hydrolysis: conformational dynamics, catalytic mechanisms, and emerging therapeutic strategiesCarsten Kötting, Till Rudack, Klaus Gerwert
Angewandte Chemie (International Ed. in English)|December 6, 2025
On the Origin of Substrate Specificity of Enzymes from the Amidohydrolase SuperfamilyLukas Drexler, Torben F Fürtges, Till Rudack, et al.
Journal of the American Chemical Society|November 28, 2012
Detailed structure of the H2PO4(-)-guanosine diphosphate intermediate in Ras-GAP decoded from FTIR experiments by biomolecular simulationsFei Xia, Till Rudack, Qiang Cui, et al.
Physical Chemistry Chemical Physics : PCCP|November 4, 2011
The specific vibrational modes of GTP in solution and bound to Ras: a detailed theoretical analysis by QM/MM simulationsFei Xia, Till Rudack, Carsten Kötting, et al.
Journal of Chemical Theory and Computation|November 24, 2015
Exploring the Multidimensional Free Energy Surface of Phosphoester Hydrolysis with Constrained QM/MM DynamicsWenjin Li, Till Rudack, Klaus Gerwert, et al.
Proceedings of the National Academy of Sciences of the United States of America|September 6, 2012
Ras and GTPase-activating protein (GAP) drive GTP into a precatalytic state as revealed by combining FTIR and biomolecular simulationsTill Rudack, Fei Xia, Jürgen Schlitter, et al.
The Journal of Physical Chemistry. B|March 26, 2016
Recognition of Poly-Ubiquitins by the Proteasome through Protein Refolding Guided by Electrostatic and Hydrophobic InteractionsYi Zhang, Lela Vuković, Till Rudack, et al.
Proteins|July 19, 2018
Monitoring transient events in infrared spectra using local mode analysisMatthias Massarczyk, Jürgen Schlitter, Carsten Kötting, et al.
Biophysical Journal|August 3, 2012
The role of magnesium for geometry and charge in GTP hydrolysis, revealed by quantum mechanics/molecular mechanics simulationsTill Rudack, Fei Xia, Jürgen Schlitter, et al.
The Journal of Biological Chemistry|August 15, 2015
Catalysis of GTP hydrolysis by small GTPases at atomic detail by integration of X-ray crystallography, experimental, and theoretical IR spectroscopyTill Rudack, Sarah Jenrich, Sven Brucker, et al.
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